SCHEMBL7288146

SCHEMBL7288146

CC([O])[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41
DDAH1 O94760 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 2/20 0.41
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7288253 0.78 ALDH1A1 (0.44) SMN1; SMN2RAB9AALDH1A1NPC1KDM4E
SCHEMBL2799383 0.78 ALDH1A1 (0.50) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7046389 0.77 ALDH1A1 (0.54) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6883125 0.77 CXCR4 (0.42) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9790100 0.76 ALDH1A1 (0.48) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2802535 0.76 ALDH1A1 (0.48) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7298822 0.75 SMN1; SMN2 (0.40) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9676124 0.75 ATP4A (0.40) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6439248 0.75 CXCR4 (0.41) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9560922 0.73 DDAH1 (0.51) POLBSMN1; SMN2RAB9AALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed